K28Li4Si32
K28Li4Si32 is a thermodynamically stable, semiconducting ternary silicide composed of potassium, lithium, and silicon.
About K28Li4Si32
K28Li4Si32 is a complex ternary silicide that occupies a stable position on the convex hull, indicating its robust thermodynamic nature. As a semiconducting material, it represents a specialized class of compounds where alkali metals and silicon integrate to form unique electronic environments.
This material is of significant interest in solid-state chemistry due to its distinct structural arrangement. Its stability and semiconducting character make it a subject of investigation for researchers looking to understand how ternary interactions influence the electronic properties of silicon-based frameworks.
Key Properties
Cross-validated computational properties for K28Li4Si32, aggregated across 3 databases.
Band GapEnergy needed to move an electron from the valence band to the conduction band. Lower or zero values tend to behave more metallic; larger gaps are more insulating or semiconducting.
Energy Above HullThermodynamic distance from the most stable set of competing phases. 0 eV/atom is on the convex hull; small positive values may still be experimentally accessible.
StabilityA plain-language summary of the best reported energy-above-hull result. It reflects whether the lowest-energy structure is on, near, or far from the stability hull.
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
Reported Structures
Lowest-energy structures reported for K28Li4Si32, ranked by energy above hull.
| Space GroupSymmetry classification of the crystal arrangement. The number is the international space-group index. | Crystal SystemBroad lattice family, such as cubic, tetragonal, monoclinic, or triclinic, derived from unit-cell symmetry. | Band Gap (eV)Electronic gap calculated for this specific reported structure, measured in electronvolts. | E above hull (eV/atom)Thermodynamic distance from the convex hull for this structure, normalized per atom. Lower is generally more stable. | E/atom (eV)Computed total energy normalized per atom. Use energy above hull, not this value alone, when comparing stability. | Density (g/cm³)Mass per relaxed crystal volume, reported in grams per cubic centimeter. |
|---|---|---|---|---|---|
| Pa-3 (No. 205) | cubic | 1.72 | 0.0000 | -3.386 | 1.72 |
| Pa-3 (No. 205) | — | — | — | — | — |
| — | — | — | — | — | 1.70 |
| Pa-3 (No. 205) | — | — | — | — | — |
Applications
Where K28Li4Si32 is used.
Frequently Asked Questions
Common questions about K28Li4Si32, answered from cross-validated data.
What is K28Li4Si32?
K28Li4Si32 is a thermodynamically stable, semiconducting ternary silicide composed of potassium, lithium, and silicon.
What is K28Li4Si32 used for?
What is the band gap of K28Li4Si32?
Is K28Li4Si32 a metal, semiconductor, or insulator?
Is K28Li4Si32 thermodynamically stable?
What is the crystal structure of K28Li4Si32?
What is the density of K28Li4Si32?
How many polymorphs of K28Li4Si32 are known?
What elements does K28Li4Si32 contain?
Where does the data for K28Li4Si32 come from?
How It Compares
As a unique ternary silicide, K28Li4Si32 serves as a foundational example of how alkali metal incorporation can stabilize complex silicon structures. Unlike simpler binary silicides, this compound demonstrates the potential for structural diversity within multi-element systems, providing a benchmark for stability in the broader landscape of ternary silicon-based semiconductors.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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